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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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Geometry for SNO (Nitrogen oxide sulfide)
2A' CS
1910171554
InChI=1S/NOS/c2-1-3 INChIKey=
B3LYP/STO-3G
Point group is Cs
| Atom |
Internal |
|
Principal |
| x (Å) |
y (Å) |
z (Å) |
|
a (Å) |
b (Å) |
c (Å) |
| N1 |
0.0000 |
0.6594 |
0.0000 |
|
0.5529 |
0.3592 |
0.0000 |
| S2 |
-0.5912 |
-0.8723 |
0.0000 |
|
-0.4094 |
-0.9710 |
0.0000 |
| O3 |
1.1824 |
1.1677 |
0.0000 |
|
0.3350 |
1.6277 |
0.0000 |
Atom - Atom Distances (Å)
| |
N1 |
S2 |
O3 |
| N1 |
| 1.6419 |
1.2870 |
| S2 |
1.6419 |
| 2.7032 |
| O3 |
1.2870 |
2.7032 |
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Maximum atom distance is 2.7032Å
between atoms S2 and O3.
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
| atom1 |
atom2 |
atom3 |
angle |
|
atom1 |
atom2 |
atom3 |
angle |
|
S2 |
N1 |
O3 |
134.368 |
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For information on specific bond angles or dihedrals
see the geometry comparison page in section
Comparisons > Geometry > Bonds, angles.